Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccc(Oc1ncc2c(n1)nnc2c3ccccc3C)c(F)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23 |
SMILES | CACTVS | 3.341 | Cc1ccccc1c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F |
InChI | InChI | 1.03 | InChI=1S/C18H12F2N4O/c1-10-4-2-3-5-12(10)16-13-9-21-18(22-17(13)24-23-16)25-15-7-6-11(19)8-14(15)20/h2-9H,1H3,(H,21,22,23,24) |
InChIKey | InChI | 1.03 | MWRHZZFHXSJLGY-UHFFFAOYSA-N |